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Diss Factsheets
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EC number: 918-167-1 | CAS number: -
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- - Software and model(s) used: PETRORISK v7.04, which incorporates the model USEPA KOWWIN v1.68 (September 2010)
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification' - Key result
- Water solubility:
- >= 0.03 - <= 2 000 mg/L
- Conc. based on:
- other: calculation (QSAR)
- Temp.:
- 20 °C
- pH:
- ca. 7
- Remarks on result:
- other:
- Remarks:
- Multiple results. Calculated water solubility for constituents of this substance have been reported as a range. It should be borne in mind that this is the full range of predicted values, and that this may be misleading or unrepresentative of the properties of the UVCB substance as a wh ole. The range should therefore be treated with caution and not taken out of context. The substance is a hydrocarbon UVCB. Standard tests for this endpoint are intended for single substances and ar e not appropriate for this complex substance. However, this endpoint is characterised using quantitative structure property relationships for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with the PETRORISK model (see Product Library in PETRORISK spreadsheet attached in IUCLID section 13).
- Conclusions:
- Water solubility has been predicted using PETRORISK, which uses the USEPA WSKOWWIN model to calculate the water solubility of the representative constituents of this substance identified in the PETRORISK Product Library. The predicted water solubility for this substance ranges from 0.03 - 2000 mg/L.
- Executive summary:
Standard Water Solubility studies for this endpoint are intended for monoconstituent substances and are not appropriate for petroleum UVCB substances. In accordance with Annex XI Section 1.3, the endpoint has been fulfilled using QSAR calculations for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with the PETRORISK model (see the representative structures from the PETRORISK Product Library in the spreadsheet attached in IUCLID section 13.2). As such, testing is not scientifically necessary.
Full justifications for these QSAR are presented in 'Attached justification' within the associated endpoint records, but in brief these are justified because:
-the results are obtained from a QSAR model whose scientific validity has been established
-petroleum substances fall within the applicability domain of the QSAR model
-results are adequate for the purposes of risk assessment
-adequate and reliable documentation is provided
The predicted water solubility for this substance ranges from 0.03 - 2000 mg/L.
Reference
Description of key information
Standard Water Solubility studies for this endpoint are intended for monoconstituent substances and are not appropriate for petroleum UVCB substances. In accordance with Annex XI Section 1.3 the endpoint has been fulfilled using QSAR calculations for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with the PETRORISK model (see the representative structures from the PETRORISK Product Library in the spreadsheet attached in IUCLID section 13.2). As such, testing is not scientifically necessary.
Full justifications for these QSAR are presented in 'Attached justification' within the associated endpoint records, but in brief these are justified because:
-the results are obtained from a QSAR model whose scientific validity has been established
-petroleum substances fall within the applicability domain of the QSAR model
-results are adequate for the purposes of risk assessment
-adequate and reliable documentation is provided
Key value for chemical safety assessment
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.